2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C12H21N3S — CID 61222270

IUPAC2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cscn1)CN1CCCC1
InChIInChI=1S/C12H21N3S/c1-11(8-15-4-2-3-5-15)6-13-7-12-9-16-10-14-12/h9-11,13H,2-8H2,1H3
InChIKeySFVVULANXCJHJT-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds6

About 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 61222270) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID61222270
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cscn1)CN1CCCC1
InChIInChI=1S/C12H21N3S/c1-11(8-15-4-2-3-5-15)6-13-7-12-9-16-10-14-12/h9-11,13H,2-8H2,1H3
InChIKeySFVVULANXCJHJT-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115331632
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79427153
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 61222270) is 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CC(CNCc1cscn1)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is SFVVULANXCJHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-11(8-15-4-2-3-5-15)6-13-7-12-9-16-10-14-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 61222270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).